SCHEMBL3774087

SCHEMBL3774087

CCCCCCn1nc(OC)c(N)c1N(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.37
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMPD1 P17405 1/20 0.32
TLR8 Q9NR97 3/20 0.32
KDR P35968 5/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC9A1 P19634 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2700833 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL725352 0.81 MPO (0.40) MPOALDH1A1TDP1SMPD1TLR8
SCHEMBL1075772 0.79 MPO (0.37) MPOSMPD1TLR8KDRCNR1
SCHEMBL3773621 0.77 TLR8 (0.33) MPOALDH1A1TDP1TLR8KDR
SCHEMBL1076188 0.77 HTR2C (0.38) MPOALDH1A1TDP1SMPD1TLR8
SCHEMBL3777245 0.75 ALDH1A1 (0.33) ALDH1A1TLR8CNR1CNR2
SCHEMBL692560 0.74 MPO (0.40) MPOTLR8SLC9A1
SCHEMBL1074713 0.71 MPO (0.37) MPOSMPD1TLR8KDRCNR1
SCHEMBL693447 0.67 CNR1 (0.31) CNR1CNR2
SCHEMBL1074895 0.66 ALDH1A1 (0.31) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX MPO 255/4885ALDH1A1 510/4885TDP1 3384/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.